2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide

C18H24N4O4 — CID 70774111

IUPAC2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)C3CCCN3C(N)=O)CC2=O)cc1
InChIInChI=1S/C18H24N4O4/c1-26-14-6-4-13(5-7-14)11-20-9-10-21(12-16(20)23)17(24)15-3-2-8-22(15)18(19)25/h4-7,15H,2-3,8-12H2,1H3,(H2,19,25)
InChIKeyGTVUYMLPSQRYRQ-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.41
Rot. Bonds4

About 2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide

2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide (PubChem CID 70774111) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide
PubChem CID70774111
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)C3CCCN3C(N)=O)CC2=O)cc1
InChIInChI=1S/C18H24N4O4/c1-26-14-6-4-13(5-7-14)11-20-9-10-21(12-16(20)23)17(24)15-3-2-8-22(15)18(19)25/h4-7,15H,2-3,8-12H2,1H3,(H2,19,25)
InChIKeyGTVUYMLPSQRYRQ-UHFFFAOYSA-N
XLogP0.41
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one
CID 126447577
1-[(4-methoxyphenyl)methyl]-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97210382
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386
1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one
CID 70767558
1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 140665359
methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 70760409
4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 45171634
1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 26360727
(2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 131891978
4-[(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carbonyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 133119416
1-[(4-fluorophenyl)methyl]-4-[(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]piperazin-2-one
CID 28685195
cyclopropyl-[2-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 55630204

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide (CID 70774111) is 2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide is COc1ccc(CN2CCN(C(=O)C3CCCN3C(N)=O)CC2=O)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide?
The InChIKey is GTVUYMLPSQRYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-26-14-6-4-13(5-7-14)11-20-9-10-21(12-16(20)23)17(24)15-3-2-8-22(15)18(19)25/h4-7,15H,2-3,8-12H2,1H3,(H2,19,25).
What are the key properties of 2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide?
2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 70774111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).